| General Property |
| Molceule ID (DB) | EGIN0001312 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 2-{4-[(E)-{[4-amino-6-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrimidin-5-yl]methylidene}amino]piperazin-1-yl}ethan-1-ol |
| Formula | C25H28FN9O |
| Mass | 489.5479 |
| Exact Mass | 489.2400848 |
| Composition | C (61.34%), H (5.76%), F (3.88%), N (25.75%), O (3.27%) |
| Atom Count | 64 |
| PI | 11.01 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N1CCN(CC1)CCO)Cc1cc(ccc1)F |
| InChI | 1S/C25H28FN9O/c26-20-3-1-2-18(12-20)16-35-23-5-4-21(13-19(23)14-31-35)32-25-22(24(27)28-17-29-25)15-
30-34-8-6-33(7-9-34)10-11-36/h1-5,12-15,17,36H,6-11,16H2,(H3,27,28,29,32)/b30-15+ |
| InChIKey | QHAHIGAQWUSAND-FJEPWZHXSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 18653333 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
44587569
|
| Drug Bank Link | - |
| ChemSpider Link | 24715500 |
| ChEMBL Link | CHEMBL514566 |
